SCHEMBL16392533

SCHEMBL16392533

CCCCOc1c(C(=O)Nc2ccc(C(=O)OC)cc2OC(C)C)ccc([N+](=O)[O-])c1OC(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.54
▸ PELP1 Q8IZL8 1/20 0.54
▸ EP300 Q09472 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ AKR1C3 P42330 1/20 0.49
▸ AKR1C2 P52895 1/20 0.49
▸ AKR1C1 Q04828 1/20 0.49
▸ MAPT P10636 4/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ MYC P01106 3/20 0.44
▸ MAX P61244 3/20 0.44
▸ NPC1 O15118 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17775433 0.86 MYC (0.54) ARPELP1EP300HIF1AAKR1C3
SCHEMBL16392496 0.86 AR (0.58) ARPELP1EP300HIF1AMAPT
SCHEMBL16392534 0.86 EP300 (0.48) ARPELP1EP300HIF1AMAPT
SCHEMBL17795677 0.84 EP300 (0.53) ARPELP1EP300HIF1AMAPT
SCHEMBL16392505 0.82 AKR1C3 (0.39) AKR1C3AKR1C2AKR1C1MAPTKMT2A
SCHEMBL16392556 0.80 EP300 (0.52) ARPELP1EP300HIF1AMAPT
SCHEMBL16369635 0.79 MYC (0.62) ARPELP1EP300HIF1AAKR1C3
SCHEMBL17795676 0.79 EP300 (0.52) ARPELP1EP300HIF1AMAPT
SCHEMBL12070189 0.78 EP300 (0.65) ARPELP1EP300HIF1AAKR1C3
SCHEMBL17795679 0.77 EP300 (0.50) ARPELP1EP300HIF1AMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160145304-A1 CYSTOBACTAMIDES HELMHOLTZ-ZENTRUM FUR INFEKTIONSFORSCHUNG GMBH (DE) 2016-05-26 — — US disclosed
WO-2015003816-A2 CYSTOBACTAMIDES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2015-01-15 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160145304-A1 CYSTOBACTAMIDES CTH, SLC7A11, CBS AR 2913/4885PELP1 1614/4885EP300 3526/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback